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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02299141

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.74
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.74
MNN(S)-MANDELIC ACID NITRILEA1YB60.71
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.75
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.74
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.72
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.73
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3F2R0.73
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3G150.73
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.71
SS11-PHENYLETHANOLH1UM50.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.72
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.72
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.7
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.84
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.84
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.76
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.76
AEF4-(2-aminoethyl)phenolA3BRA0.73
12M(2-ETHYLPHENYL)METHANOLA,B2F620.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
DPKDEPRENYLA,B2BYB0.7
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.76
SS2(1R)-1-PHENYLETHANOLA1ZK00.73
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.73
SS2(1R)-1-PHENYLETHANOLA1ZJY0.73
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.72
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.72
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.73